1-[(4-butoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-butoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(4-butoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(4-butoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(4-butoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(4-butoxybenzyl)-4-methyl-1,4-diazepan-1-ium Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C

InChI

InChI=1S/C17H28N2O/c1-3-4-14-20-17-8-6-16(7-9-17)15-19-11-5-10-18(2)12-13-19/h6-9H,3-5,10-15H2,1-2H3/p+1