(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-ethyl-N-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-ethyl-N-[[1-(1-methyl-4-piperidinyl)-4-piperidin-1-iumyl]methyl]-1-(2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-1-pyridin-1-ium-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-ethyl-N-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-1-pyridin-1-ium-2-yl-nipecotamide Formula: C25H43N5O+2 MolecularWeight: 429.64182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CCN(CC2)C)C(=O)C3CCCN(C3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CCN(CC2)C)C(=O)[C@H]3CCCN(C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H41N5O/c1-3-28(19-21-9-17-29(18-10-21)23-11-15-27(2)16-12-23)25(31)22-7-6-14-30(20-22)24-8-4-5-13-26-24/h4-5,8,13,21-23H,3,6-7,9-12,14-20H2,1-2H3/p+2/t22-/m0/s1