(E)-1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-piperidyl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]piperidino]-3-phenyl-prop-2-en-1-one Formula: C27H31N4O2S+ MolecularWeight: 475.62564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O2S/c32-26(11-10-21-6-2-1-3-7-21)30-14-12-22(13-15-30)27(33)31-18-16-29(17-19-31)20-25-28-23-8-4-5-9-24(23)34-25/h1-11,22H,12-20H2/p+1/b11-10+