1-[[4-[1-azanyl-2-(1-methyl-4-propan-2-yl-piperazin-1-ium-1-yl)-2-oxidanylidene-ethyl]phenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[4-[1-azanyl-2-(1-methyl-4-propan-2-yl-piperazin-1-ium-1-yl)-2-oxidanylidene-ethyl]phenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[4-[1-amino-2-(4-isopropyl-1-methyl-piperazin-1-ium-1-yl)-2-oxo-ethyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[4-[1-amino-2-(1-methyl-4-propan-2-yl-1-piperazin-1-iumyl)-2-oxoethyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[4-[1-amino-2-(1-methyl-4-propan-2-ylpiperazin-1-ium-1-yl)-2-oxoethyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[4-[1-amino-2-(4-isopropyl-1-methyl-piperazin-1-ium-1-yl)-2-keto-ethyl]benzyl]-2-pyrrolidone Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC[N+](CC1)(C)C(=O)C(C2=CC=C(C=C2)CN3CCCC3=O)N

Isomeric SMILES

CC(C)N1CC[N+](CC1)(C)C(=O)C(C2=CC=C(C=C2)CN3CCCC3=O)N

InChI

InChI=1S/C21H33N4O2/c1-16(2)23-11-13-25(3,14-12-23)21(27)20(22)18-8-6-17(7-9-18)15-24-10-4-5-19(24)26/h6-9,16,20H,4-5,10-15,22H2,1-3H3/q+1