[3-[[butyl(methyl)amino]methoxy]phenyl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [3-[[butyl(methyl)amino]methoxy]phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [3-[[butyl(methyl)amino]methoxy]phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [3-[[butyl(methyl)amino]methoxy]phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [3-[[butyl(methyl)amino]methoxy]phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [3-[[butyl(methyl)amino]methoxy]phenyl]-piperazin-4-ium-1-yl-methanone Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)COC1=CC=CC(=C1)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCCCN(C)COC1=CC=CC(=C1)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H27N3O2/c1-3-4-10-19(2)14-22-16-7-5-6-15(13-16)17(21)20-11-8-18-9-12-20/h5-7,13,18H,3-4,8-12,14H2,1-2H3/p+1