(4-butoxy-3-ethoxy-phenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (4-butoxy-3-ethoxy-phenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: (4-butoxy-3-ethoxy-phenyl)-piperazin-4-ium-1-yl-methanone CAS Name: (4-butoxy-3-ethoxyphenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (4-butoxy-3-ethoxyphenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: (4-butoxy-3-ethoxy-phenyl)-piperazin-4-ium-1-yl-methanone Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CC[NH2+]CC2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CC[NH2+]CC2)OCC

InChI

InChI=1S/C17H26N2O3/c1-3-5-12-22-15-7-6-14(13-16(15)21-4-2)17(20)19-10-8-18-9-11-19/h6-7,13,18H,3-5,8-12H2,1-2H3/p+1