3-[1-[[4-[methyl(phenyl)amino]phenyl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[[4-[methyl(phenyl)amino]phenyl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[[4-(N-methylanilino)phenyl]methyl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[4-(N-methylanilino)benzyl]piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C26H36N3O+ MolecularWeight: 406.58354

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)CCC(=O)N4CCCC4

Isomeric SMILES

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)CCC(=O)N4CCCC4

InChI

InChI=1S/C26H35N3O/c1-27(24-7-3-2-4-8-24)25-12-9-23(10-13-25)21-28-19-15-22(16-20-28)11-14-26(30)29-17-5-6-18-29/h2-4,7-10,12-13,22H,5-6,11,14-21H2,1H3/p+1