[(2R)-2-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-phenyl-butyl]azanium

Systemtic Name: [(2R)-2-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-phenyl-butyl]azanium Openeye Name: [(2R)-2-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-phenyl-butyl]ammonium CAS Name: [(2R)-2-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-phenylbutyl]ammonium IUPAC Name: [(2R)-2-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-phenylbutyl]azanium Traditional Name: [(2R)-2-methyl-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-phenyl-butyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)(C[NH3+])N2CCC[NH+](CC2)C

Isomeric SMILES

C[C@@](CCC1=CC=CC=C1)(C[NH3+])N2CCC[NH+](CC2)C

InChI

InChI=1S/C17H29N3/c1-17(15-18,10-9-16-7-4-3-5-8-16)20-12-6-11-19(2)13-14-20/h3-5,7-8H,6,9-15,18H2,1-2H3/p+2/t17-/m1/s1