1-cyclopentyl-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-cyclopentyl-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-cyclopentyl-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-cyclopentyl-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-cyclopentyl-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-cyclopentyl-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:

C1CCC(C1)[NH+]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C18H26N2O2/c21-18-10-11-19(16-6-4-5-7-16)12-13-20(18)14-15-22-17-8-2-1-3-9-17/h1-3,8-9,16H,4-7,10-15H2/p+1