4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1-phenyltetrazol-5-yl)methyl]-N-(2-thienylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(1-phenyl-5-tetrazolyl)methyl]-N-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(1-phenyltetrazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(1-phenyltetrazol-5-yl)methyl]-N-(2-thenyl)piperazin-4-ium-1-carboxamide Formula: C18H22N7OS+ MolecularWeight: 384.47858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)NCC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C18H21N7OS/c26-18(19-13-16-7-4-12-27-16)24-10-8-23(9-11-24)14-17-20-21-22-25(17)15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2,(H,19,26)/p+1