[3-azanyl-5-[(2S)-2-methylpiperidin-1-yl]carbonyl-phenyl]-[(2R)-1-methylpiperidin-1-ium-2-yl]methanone

Systemtic Name: [3-azanyl-5-[(2S)-2-methylpiperidin-1-yl]carbonyl-phenyl]-[(2R)-1-methylpiperidin-1-ium-2-yl]methanone Openeye Name: [3-amino-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-1-methylpiperidin-1-ium-2-yl]methanone CAS Name: [3-amino-5-[[(2S)-2-methyl-1-piperidinyl]-oxomethyl]phenyl]-[(2R)-1-methyl-2-piperidin-1-iumyl]methanone IUPAC Name: [3-amino-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-1-methylpiperidin-1-ium-2-yl]methanone Traditional Name: [3-amino-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-1-methylpiperidin-1-ium-2-yl]methanone Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=CC(=CC(=C2)C(=O)C3CCCC[NH+]3C)N

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C2=CC(=CC(=C2)C(=O)[C@H]3CCCC[NH+]3C)N

InChI

InChI=1S/C20H29N3O2/c1-14-7-3-6-10-23(14)20(25)16-11-15(12-17(21)13-16)19(24)18-8-4-5-9-22(18)2/h11-14,18H,3-10,21H2,1-2H3/p+1/t14-,18+/m0/s1