4-(2-methoxyethyl)-1-[(2R)-4-phenylbutan-2-yl]-1,4-diazepan-1-ium-5-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCC(=O)N(CC2)CCOC

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+]2CCC(=O)N(CC2)CCOC

InChI

InChI=1S/C18H28N2O2/c1-16(8-9-17-6-4-3-5-7-17)19-11-10-18(21)20(13-12-19)14-15-22-2/h3-7,16H,8-15H2,1-2H3/p+1/t16-/m1/s1