1-[(1R)-1-cyclobutylethyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(1R)-1-cyclobutylethyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1R)-1-cyclobutylethyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(1R)-1-cyclobutylethyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(1R)-1-cyclobutylethyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1R)-1-cyclobutylethyl]-4-m-anisyl-1,4-diazepan-1-ium-5-one Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC1)[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

C[C@H](C1CCC1)[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C19H28N2O2/c1-15(17-6-4-7-17)20-10-9-19(22)21(12-11-20)14-16-5-3-8-18(13-16)23-2/h3,5,8,13,15,17H,4,6-7,9-12,14H2,1-2H3/p+1/t15-/m1/s1