N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H33N4OS+ MolecularWeight: 413.59932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CSC=C4

InChI

InChI=1S/C23H32N4OS/c28-23(18-26-14-12-25(13-15-26)17-20-9-16-29-19-20)24-21-5-7-22(8-6-21)27-10-3-1-2-4-11-27/h5-9,16,19H,1-4,10-15,17-18H2,(H,24,28)/p+1