(4-ethoxy-3-methoxy-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethoxy-3-methoxy-phenyl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-ethoxy-3-methoxyphenyl)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethoxy-3-methoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethoxy-3-methoxy-phenyl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C25H28N2O3/c1-3-30-23-12-11-20(17-24(23)29-2)25(28)27-15-13-26(14-16-27)18-21-9-6-8-19-7-4-5-10-22(19)21/h4-12,17H,3,13-16,18H2,1-2H3/p+1