1-(3-methylbut-2-enyl)-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(3-methylbut-2-enyl)-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-(3-methylbut-2-enyl)-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-(3-methylbut-2-enyl)-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(3-methylbut-2-enyl)-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-(3-methylbut-2-enyl)-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCC(=O)N(CC1)CCOC2=CC=CC=C2)C

Isomeric SMILES

CC(=CC[NH+]1CCC(=O)N(CC1)CCOC2=CC=CC=C2)C

InChI

InChI=1S/C18H26N2O2/c1-16(2)8-10-19-11-9-18(21)20(13-12-19)14-15-22-17-6-4-3-5-7-17/h3-8H,9-15H2,1-2H3/p+1