(Z)-3-[9-methyl-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (Z)-3-[9-methyl-4-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (Z)-2-(benzenesulfonyl)-3-[2-(4-benzylpiperazin-4-ium-1-yl)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile CAS Name: (Z)-2-(benzenesulfonyl)-3-[9-methyl-4-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile IUPAC Name: (Z)-2-(benzenesulfonyl)-3-[2-(4-benzylpiperazin-4-ium-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile Traditional Name: (Z)-3-[2-(4-benzylpiperazin-4-ium-1-yl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-besyl-acrylonitrile Formula: C29H28N5O3S+ MolecularWeight: 526.62932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)/C=C(/C#N)\S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H27N5O3S/c1-22-9-8-14-34-27(22)31-28(33-17-15-32(16-18-33)21-23-10-4-2-5-11-23)26(29(34)35)19-25(20-30)38(36,37)24-12-6-3-7-13-24/h2-14,19H,15-18,21H2,1H3/p+1/b25-19-