(2S)-N-methyl-2-phenyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]butanamide

Systemtic Name: (2S)-N-methyl-2-phenyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]butanamide Openeye Name: (2S)-N-methyl-2-phenyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]butanamide CAS Name: (2S)-N-methyl-2-phenyl-N-[2-[(2R)-2-piperidin-1-iumyl]ethyl]butanamide IUPAC Name: (2S)-N-methyl-2-phenyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]butanamide Traditional Name: (2S)-N-methyl-2-phenyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]butyramide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(C)CCC2CCCC[NH2+]2

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)N(C)CC[C@H]2CCCC[NH2+]2

InChI

InChI=1S/C18H28N2O/c1-3-17(15-9-5-4-6-10-15)18(21)20(2)14-12-16-11-7-8-13-19-16/h4-6,9-10,16-17,19H,3,7-8,11-14H2,1-2H3/p+1/t16-,17+/m1/s1