1-[(3S)-1-(3-chloranyl-4-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3S)-1-(3-chloranyl-4-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(3-chloro-4-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(3-chloro-4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-1-(3-chloro-4-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C22H31ClN4O3+2 MolecularWeight: 434.95954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4)Cl

InChI

InChI=1S/C22H29ClN4O3/c1-15-5-6-16(13-17(15)23)27-19(28)14-18(20(27)29)25-11-7-22(8-12-25,21(24)30)26-9-3-2-4-10-26/h5-6,13,18H,2-4,7-12,14H2,1H3,(H2,24,30)/p+2/t18-/m0/s1