1-[(2R)-1-(3-methoxyphenyl)propan-2-yl]-4-propyl-1,4-diazepan-1-ium-5-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC[NH+](CCC1=O)C(C)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCCN1CC[NH+](CCC1=O)[C@H](C)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C18H28N2O2/c1-4-9-20-12-11-19(10-8-18(20)21)15(2)13-16-6-5-7-17(14-16)22-3/h5-7,14-15H,4,8-13H2,1-3H3/p+1/t15-/m1/s1