1-methyl-4-[(3R)-3-phenylbutyl]-1,4-diazepan-4-ium

Systemtic Name: 1-methyl-4-[(3R)-3-phenylbutyl]-1,4-diazepan-4-ium Openeye Name: 1-methyl-4-[(3R)-3-phenylbutyl]-1,4-diazepan-4-ium CAS Name: 1-methyl-4-[(3R)-3-phenylbutyl]-1,4-diazepan-4-ium IUPAC Name: 1-methyl-4-[(3R)-3-phenylbutyl]-1,4-diazepan-4-ium Traditional Name: 1-methyl-4-[(3R)-3-phenylbutyl]-1,4-diazepan-4-ium Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCCN(CC1)C)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CC[NH+]1CCCN(CC1)C)C2=CC=CC=C2

InChI

InChI=1S/C16H26N2/c1-15(16-7-4-3-5-8-16)9-12-18-11-6-10-17(2)13-14-18/h3-5,7-8,15H,6,9-14H2,1-2H3/p+1/t15-/m1/s1