1-butyl-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-ium

Systemtic Name: 1-butyl-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-ium Openeye Name: 1-butyl-4-indan-2-yl-1,4-diazepan-1-ium CAS Name: 1-butyl-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-ium IUPAC Name: 1-butyl-4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-ium Traditional Name: 1-butyl-4-indan-2-yl-1,4-diazepan-1-ium Formula: C18H29N2+ MolecularWeight: 273.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CCCN(CC1)C2CC3=CC=CC=C3C2

Isomeric SMILES

CCCC[NH+]1CCCN(CC1)C2CC3=CC=CC=C3C2

InChI

InChI=1S/C18H28N2/c1-2-3-9-19-10-6-11-20(13-12-19)18-14-16-7-4-5-8-17(16)15-18/h4-5,7-8,18H,2-3,6,9-15H2,1H3/p+1