(3S)-1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-p-anisyl-amine Formula: C20H26ClN2O+ MolecularWeight: 345.88624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN2O/c1-24-20-10-6-16(7-11-20)13-22-19-3-2-12-23(15-19)14-17-4-8-18(21)9-5-17/h4-11,19,22H,2-3,12-15H2,1H3/p+1/t19-/m0/s1