4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide Formula: C25H30N5O2S+ MolecularWeight: 464.603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H29N5O2S/c31-24(19-10-12-30(13-11-19)25(32)26-20-6-2-1-3-7-20)29-16-14-28(15-17-29)18-23-27-21-8-4-5-9-22(21)33-23/h1-9,19H,10-18H2,(H,26,32)/p+1