[(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-phenyl-propyl]azanium

Systemtic Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-phenyl-propyl]azanium Openeye Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-phenyl-propyl]ammonium CAS Name: [(2S)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-3-phenylpropyl]ammonium IUPAC Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-phenylpropyl]azanium Traditional Name: [(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-phenyl-propyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(CC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)[C@@H](CC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C16H27N3/c1-18-10-8-15(9-11-18)19(2)16(13-17)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13,17H2,1-2H3/p+2/t16-/m0/s1