2-[[azanyl-[4-(phenylmethyl)piperidin-1-ium-1-ylidene]methyl]amino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[azanyl-[4-(phenylmethyl)piperidin-1-ium-1-ylidene]methyl]amino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one Openeye Name: 2-[[amino-(4-benzylpiperidin-1-ium-1-ylidene)methyl]amino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one CAS Name: 2-[[amino-[4-(phenylmethyl)-1-piperidin-1-iumylidene]methyl]amino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one IUPAC Name: 2-[[amino-(4-benzylpiperidin-1-ium-1-ylidene)methyl]amino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one Traditional Name: 2-[[amino-(4-benzylpiperidin-1-ium-1-ylidene)methyl]amino]-6-methyl-5-phenethyl-1H-pyrimidin-4-one Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC(=[N+]2CCC(CC2)CC3=CC=CC=C3)N)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC(=[N+]2CCC(CC2)CC3=CC=CC=C3)N)CCC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c1-19-23(13-12-20-8-4-2-5-9-20)24(32)29-26(28-19)30-25(27)31-16-14-22(15-17-31)18-21-10-6-3-7-11-21/h2-11,22H,12-18H2,1H3,(H3,27,28,29,30,32)/p+1