4-(2-methoxyethyl)-1-[(3S)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(2-methoxyethyl)-1-[(3S)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(2-methoxyethyl)-1-[(3S)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(2-methoxyethyl)-1-[(3S)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(2-methoxyethyl)-1-[(3S)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-methoxyethyl)-1-[(3S)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC(=O)N(CC1)CCOC)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](CC[NH+]1CCC(=O)N(CC1)CCOC)C2=CC=CC=C2

InChI

InChI=1S/C18H28N2O2/c1-16(17-6-4-3-5-7-17)8-10-19-11-9-18(21)20(13-12-19)14-15-22-2/h3-7,16H,8-15H2,1-2H3/p+1/t16-/m0/s1