1-methyl-4-[(2R)-4-phenylbutan-2-yl]-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-[(2R)-4-phenylbutan-2-yl]-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-[(1R)-1-methyl-3-phenyl-propyl]-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[(2R)-4-phenylbutan-2-yl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-[(2R)-4-phenylbutan-2-yl]-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-[(1R)-1-methyl-3-phenyl-propyl]-1,4-diazepan-1-ium Formula: C16H27N2+ MolecularWeight: 247.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2CCC[NH+](CC2)C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)N2CCC[NH+](CC2)C

InChI

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