4-methyl-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-4-methyl-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-4-methyl-1,4-diazepan-1-ium-5-one Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+]2CCC(=O)N(CC2)C

Isomeric SMILES

CC(=C)[C@H]1CCC(=CC1)C[NH+]2CCC(=O)N(CC2)C

InChI

InChI=1S/C16H26N2O/c1-13(2)15-6-4-14(5-7-15)12-18-9-8-16(19)17(3)10-11-18/h4,15H,1,5-12H2,2-3H3/p+1/t15-/m1/s1