3-(dimethylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-(dimethylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-(dimethylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-(dimethylamino)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-(dimethylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-(dimethylamino)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O/c1-24(2)21-8-6-7-20(15-21)22(26)23-16-18-9-11-19(12-10-18)17-25-13-4-3-5-14-25/h6-12,15H,3-5,13-14,16-17H2,1-2H3,(H,23,26)/p+1