(3-chloranyl-4,5-dimethoxy-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-4,5-dimethoxy-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-4,5-dimethoxyphenyl)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-4,5-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone Formula: C24H26ClN2O3+ MolecularWeight: 425.92784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)Cl)OC

InChI

InChI=1S/C24H25ClN2O3/c1-29-22-15-19(14-21(25)23(22)30-2)24(28)27-12-10-26(11-13-27)16-18-8-5-7-17-6-3-4-9-20(17)18/h3-9,14-15H,10-13,16H2,1-2H3/p+1