(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide CAS Name: (2S)-N-(3,4-dimethylphenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: (2S)-N-(3,4-dimethylphenyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propionamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2CC[NH+](CC2)CC(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)N2CC[NH+](CC2)CC(=O)N3CCCC3)C

InChI

InChI=1S/C21H32N4O2/c1-16-6-7-19(14-17(16)2)22-21(27)18(3)24-12-10-23(11-13-24)15-20(26)25-8-4-5-9-25/h6-7,14,18H,4-5,8-13,15H2,1-3H3,(H,22,27)/p+1/t18-/m0/s1