dimethyl-[(1S)-2-[(4-methyl-3-pyrrol-1-yl-phenyl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(4-methyl-3-pyrrol-1-yl-phenyl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(4-methyl-3-pyrrol-1-yl-benzoyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[4-methyl-3-(1-pyrrolyl)phenyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(4-methyl-3-pyrrol-1-yl-benzoyl)amino]-1-(3-thienyl)ethyl]ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CSC=C2)[NH+](C)C)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CSC=C2)[NH+](C)C)N3C=CC=C3

InChI

InChI=1S/C20H23N3OS/c1-15-6-7-16(12-18(15)23-9-4-5-10-23)20(24)21-13-19(22(2)3)17-8-11-25-14-17/h4-12,14,19H,13H2,1-3H3,(H,21,24)/p+1/t19-/m1/s1