(3S)-1,3-dimethyl-4-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]carbonyl-piperazin-2-one

Systemtic Name: (3S)-1,3-dimethyl-4-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]carbonyl-piperazin-2-one Openeye Name: (3S)-1,3-dimethyl-4-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carbonyl]piperazin-2-one CAS Name: (3S)-1,3-dimethyl-4-[oxo-[1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinyl]methyl]-2-piperazinone IUPAC Name: (3S)-1,3-dimethyl-4-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carbonyl]piperazin-2-one Traditional Name: (3S)-1,3-dimethyl-4-[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotoyl]piperazin-2-one Formula: C26H41N4O2+ MolecularWeight: 441.62934

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4)C

Isomeric SMILES

C[C@H]1C(=O)N(CCN1C(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H40N4O2/c1-21-25(31)27(2)19-20-30(21)26(32)23-10-17-29(18-11-23)24-12-15-28(16-13-24)14-6-9-22-7-4-3-5-8-22/h3-5,7-8,21,23-24H,6,9-20H2,1-2H3/p+1/t21-/m0/s1