6-(4-butylpiperazin-4-ium-1-yl)-N-[2-[(2R)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: 6-(4-butylpiperazin-4-ium-1-yl)-N-[2-[(2R)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Openeye Name: 6-(4-butylpiperazin-4-ium-1-yl)-N-[2-[(2R)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide CAS Name: 6-(4-butyl-1-piperazin-4-iumyl)-N-[2-[(2R)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-butylpiperazin-4-ium-1-yl)-N-[2-[(2R)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridine-3-carboxamide Traditional Name: 6-(4-butylpiperazin-4-ium-1-yl)-N-[2-[(2R)-1-methylpiperidin-1-ium-2-yl]ethyl]nicotinamide Formula: C22H39N5O+2 MolecularWeight: 389.57796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCC3CCCC[NH+]3C

Isomeric SMILES

CCCC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NCC[C@H]3CCCC[NH+]3C

InChI

InChI=1S/C22H37N5O/c1-3-4-13-26-14-16-27(17-15-26)21-9-8-19(18-24-21)22(28)23-11-10-20-7-5-6-12-25(20)2/h8-9,18,20H,3-7,10-17H2,1-2H3,(H,23,28)/p+2/t20-/m1/s1