2-methyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]aniline

Systemtic Name: 2-methyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]aniline Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-methyl-aniline CAS Name: 2-methyl-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]aniline IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-methylaniline Traditional Name: [4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-methyl-phenyl]amine Formula: C20H27N2+ MolecularWeight: 295.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C20H26N2/c1-16-13-19(7-8-20(16)21)15-22-11-9-18(10-12-22)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15,21H2,1H3/p+1