1-methyl-4-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium Formula: C15H25N2+ MolecularWeight: 233.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC[NH+](CC1)C)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CN1CCC[NH+](CC1)C)C2=CC=CC=C2

InChI

InChI=1S/C15H24N2/c1-14(15-7-4-3-5-8-15)13-17-10-6-9-16(2)11-12-17/h3-5,7-8,14H,6,9-13H2,1-2H3/p+1/t14-/m1/s1