4-ethyl-1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]-1,4-diazepan-1-ium-5-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)C(C)CCC2=CC=C(C=C2)OC

Isomeric SMILES

CCN1CC[NH+](CCC1=O)[C@H](C)CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H28N2O2/c1-4-19-13-14-20(12-11-18(19)21)15(2)5-6-16-7-9-17(22-3)10-8-16/h7-10,15H,4-6,11-14H2,1-3H3/p+1/t15-/m1/s1