N-[(1S,2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[(1S,2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[(1S,2S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: N-[(1S,2S)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-thiophen-2-ylpropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[(1S,2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[(1S,2S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]nicotinamide Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CS1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H28N4OS/c1-19(26-24(29)21-9-5-11-25-17-21)23(22-10-6-16-30-22)28-14-12-27(13-15-28)18-20-7-3-2-4-8-20/h2-11,16-17,19,23H,12-15,18H2,1H3,(H,26,29)/p+1/t19-,23-/m0/s1