1-(3-ethoxy-4-prop-2-ynoxy-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]methanimine

Systemtic Name: 1-(3-ethoxy-4-prop-2-ynoxy-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]methanimine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(3-ethoxy-4-prop-2-ynoxy-phenyl)methanimine CAS Name: 1-(3-ethoxy-4-prop-2-ynoxyphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]methanimine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(3-ethoxy-4-prop-2-ynoxyphenyl)methanimine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(3-ethoxy-4-propargyloxy-benzylidene)amine Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NC2CC[NH+](CC2)CC3=CC=CC=C3)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=NC2CC[NH+](CC2)CC3=CC=CC=C3)OCC#C

InChI

InChI=1S/C24H28N2O2/c1-3-16-28-23-11-10-21(17-24(23)27-4-2)18-25-22-12-14-26(15-13-22)19-20-8-6-5-7-9-20/h1,5-11,17-18,22H,4,12-16,19H2,2H3/p+1