3-methyl-N-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide

Systemtic Name: 3-methyl-N-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-3-methyl-benzamide CAS Name: 3-methyl-N-[3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-3-methylbenzamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-3-methyl-benzamide Formula: C27H30N3O2S+ MolecularWeight: 460.611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2S/c1-19-7-5-10-21(17-19)25(31)28-26-24(22-11-6-12-23(22)33-26)27(32)30-15-13-29(14-16-30)18-20-8-3-2-4-9-20/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,28,31)/p+1