6-(4-ethylpiperazin-4-ium-1-yl)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-[[(3R)-1-isobutylpyrrolidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-N-[[(3R)-1-(2-methylpropyl)-3-pyrrolidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-[[(3R)-1-isobutylpyrrolidin-1-ium-3-yl]methyl]nicotinamide Formula: C21H37N5O+2 MolecularWeight: 375.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NCC3CC[NH+](C3)CC(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NC[C@H]3CC[NH+](C3)CC(C)C

InChI

InChI=1S/C21H35N5O/c1-4-24-9-11-26(12-10-24)20-6-5-19(14-22-20)21(27)23-13-18-7-8-25(16-18)15-17(2)3/h5-6,14,17-18H,4,7-13,15-16H2,1-3H3,(H,23,27)/p+2/t18-/m1/s1