(4-aminocarbonylphenyl)methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: (4-carbamoylphenyl)methyl-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: (4-carbamoylphenyl)methyl-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: (4-carbamoylphenyl)methyl-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (4-carbamoylbenzyl)-methyl-(2-piperidinobenzyl)ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(=O)N)CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(=O)N)CC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C21H27N3O/c1-23(15-17-9-11-18(12-10-17)21(22)25)16-19-7-3-4-8-20(19)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-16H2,1H3,(H2,22,25)/p+1