4-(cyclopropylmethyl)-1-[(2-ethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(cyclopropylmethyl)-1-[(2-ethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclopropylmethyl)-1-[(2-ethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclopropylmethyl)-1-[(2-ethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclopropylmethyl)-1-[(2-ethoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclopropylmethyl)-1-(2-ethoxybenzyl)-1,4-diazepan-1-ium-5-one Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(=O)N(CC2)CC3CC3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(=O)N(CC2)CC3CC3

InChI

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