(4-butoxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (4-butoxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (4-butoxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (4-butoxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (4-butoxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (4-butoxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C16H24N2O2/c1-2-3-13-20-15-7-5-14(6-8-15)16(19)18-11-4-9-17-10-12-18/h5-8,17H,2-4,9-13H2,1H3/p+1