(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: (3S)-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-keto-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C23H29N3O3/c1-17-7-9-19(10-8-17)26-16-18(14-22(26)27)23(28)24-15-20(21-6-5-13-29-21)25-11-3-2-4-12-25/h5-10,13,18,20H,2-4,11-12,14-16H2,1H3,(H,24,28)/p+1/t18-,20+/m0/s1