1-[(4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Openeye Name: 4-allyl-1-[(4-isopropoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Traditional Name: 4-allyl-1-(4-isopropoxybenzyl)-1,4-diazepan-1-ium-5-one Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC(=O)N(CC2)CC=C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C[NH+]2CCC(=O)N(CC2)CC=C

InChI

InChI=1S/C18H26N2O2/c1-4-10-20-13-12-19(11-9-18(20)21)14-16-5-7-17(8-6-16)22-15(2)3/h4-8,15H,1,9-14H2,2-3H3/p+1