1-methyl-4-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-methyl-4-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-[(4-isopropylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-methyl-4-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(4-isopropylbenzyl)-4-methyl-1,4-diazepan-1-ium Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-14(2)16-7-5-15(6-8-16)13-18-10-4-9-17(3)11-12-18/h5-8,14H,4,9-13H2,1-3H3/p+1