4-(cyclopropylmethyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(cyclopropylmethyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclopropylmethyl)-1-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclopropylmethyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclopropylmethyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclopropylmethyl)-1-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]-1,4-diazepan-1-ium-5-one Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)[NH+]2CCC(=O)N(CC2)CC3CC3

Isomeric SMILES

C[C@@H](CC1=CC=C(C=C1)OC)[NH+]2CCC(=O)N(CC2)CC3CC3

InChI

InChI=1S/C19H28N2O2/c1-15(13-16-5-7-18(23-2)8-6-16)20-10-9-19(22)21(12-11-20)14-17-3-4-17/h5-8,15,17H,3-4,9-14H2,1-2H3/p+1/t15-/m0/s1