(3-methoxy-4-prop-2-enoxy-phenyl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methoxy-4-prop-2-enoxy-phenyl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-allyloxy-3-methoxy-phenyl)-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxy-4-prop-2-enoxyphenyl)-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxy-4-prop-2-enoxyphenyl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-allyloxy-3-methoxy-phenyl)-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methanone Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4)OCC=C

InChI

InChI=1S/C25H27N3O3/c1-3-16-31-22-10-9-20(17-23(22)30-2)25(29)28-14-12-27(13-15-28)18-21-7-4-6-19-8-5-11-26-24(19)21/h3-11,17H,1,12-16,18H2,2H3/p+1