4-(4-butoxyphenyl)-1-ethyl-4-methoxy-1-(phenylmethyl)piperidin-1-ium; methanamine

Systemtic Name: 4-(4-butoxyphenyl)-1-ethyl-4-methoxy-1-(phenylmethyl)piperidin-1-ium; methanamine Openeye Name: 1-benzyl-4-(4-butoxyphenyl)-1-ethyl-4-methoxy-piperidin-1-ium; methanamine CAS Name: 4-(4-butoxyphenyl)-1-ethyl-4-methoxy-1-(phenylmethyl)piperidin-1-ium; methanamine IUPAC Name: 1-benzyl-4-(4-butoxyphenyl)-1-ethyl-4-methoxypiperidin-1-ium; methanamine Traditional Name: 1-benzyl-4-(4-butoxyphenyl)-1-ethyl-4-methoxy-piperidin-1-ium; methylamine Formula: C26H41N2O2+ MolecularWeight: 413.61594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2(CC[N+](CC2)(CC)CC3=CC=CC=C3)OC.CN

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2(CC[N+](CC2)(CC)CC3=CC=CC=C3)OC.CN

InChI

InChI=1S/C25H36NO2.CH5N/c1-4-6-20-28-24-14-12-23(13-15-24)25(27-3)16-18-26(5-2,19-17-25)21-22-10-8-7-9-11-22;1-2/h7-15H,4-6,16-21H2,1-3H3;2H2,1H3/q+1;