3,4-dimethoxy-N-(3-piperazin-4-ium-1-ylpropyl)benzamide

Systemtic Name: 3,4-dimethoxy-N-(3-piperazin-4-ium-1-ylpropyl)benzamide Openeye Name: 3,4-dimethoxy-N-(3-piperazin-4-ium-1-ylpropyl)benzamide CAS Name: 3,4-dimethoxy-N-[3-(1-piperazin-4-iumyl)propyl]benzamide IUPAC Name: 3,4-dimethoxy-N-(3-piperazin-4-ium-1-ylpropyl)benzamide Traditional Name: 3,4-dimethoxy-N-(3-piperazin-4-ium-1-ylpropyl)benzamide Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCN2CC[NH2+]CC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCN2CC[NH2+]CC2)OC

InChI

InChI=1S/C16H25N3O3/c1-21-14-5-4-13(12-15(14)22-2)16(20)18-6-3-9-19-10-7-17-8-11-19/h4-5,12,17H,3,6-11H2,1-2H3,(H,18,20)/p+1