N-(2-methylpropyl)-2-[4-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylpropyl)-2-[4-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isobutyl-2-[4-[2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylpropyl)-2-[4-[2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylpropyl)-2-[4-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-isobutyl-2-[4-[2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C23H38N5O2+ MolecularWeight: 416.58012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CN3CC[NH+](CC3)CC(=O)NCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CN3CC[NH+](CC3)CC(=O)NCC(C)C

InChI

InChI=1S/C23H37N5O2/c1-18(2)15-24-22(29)16-26-10-12-27(13-11-26)17-23(30)25-21-7-6-20(14-19(21)3)28-8-4-5-9-28/h6-7,14,18H,4-5,8-13,15-17H2,1-3H3,(H,24,29)(H,25,30)/p+1