[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium

Systemtic Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]-methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-methyl-(2-pyrrolidinobenzyl)ammonium Formula: C27H38N5O+ MolecularWeight: 448.62352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CC2=CC=CC=C2N3CCCC3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+](C)CC2=CC=CC=C2N3CCCC3)C4CCCCC4)C

InChI

InChI=1S/C27H37N5O/c1-20-21(2)32(23-12-5-4-6-13-23)27(24(20)17-28)29-26(33)19-30(3)18-22-11-7-8-14-25(22)31-15-9-10-16-31/h7-8,11,14,23H,4-6,9-10,12-13,15-16,18-19H2,1-3H3,(H,29,33)/p+1