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

Systemtic Name: (2S)-N-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-phenyl-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-phenyl-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-phenyl-2-[4-(3-thenyl)piperazin-1-ium-1-yl]propionamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C18H23N3OS/c1-15(18(22)19-17-5-3-2-4-6-17)21-10-8-20(9-11-21)13-16-7-12-23-14-16/h2-7,12,14-15H,8-11,13H2,1H3,(H,19,22)/p+1/t15-/m0/s1