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

Systemtic Name: 4-(2-methoxyethyl)-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-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-(2-methoxyethyl)-1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(2-methoxyethyl)-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-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C18H31N2O2+ MolecularWeight: 307.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-15(2)17-6-4-16(5-7-17)14-19-9-8-18(21)20(11-10-19)12-13-22-3/h4,17H,1,5-14H2,2-3H3/p+1/t17-/m1/s1