6-(methylamino)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(methylamino)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(2-isopropylimidazol-1-yl)propyl]-6-(methylamino)pyridin-1-ium-3-carboxamide CAS Name: 6-(methylamino)-N-[3-(2-propan-2-yl-1-imidazolyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(methylamino)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridin-1-ium-3-carboxamide Traditional Name: N-[3-(2-isopropylimidazol-1-yl)propyl]-6-(methylamino)pyridin-1-ium-3-carboxamide Formula: C16H24N5O+ MolecularWeight: 302.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1CCCNC(=O)C2=C[NH+]=C(C=C2)NC

Isomeric SMILES

CC(C)C1=NC=CN1CCCNC(=O)C2=C[NH+]=C(C=C2)NC

InChI

InChI=1S/C16H23N5O/c1-12(2)15-18-8-10-21(15)9-4-7-19-16(22)13-5-6-14(17-3)20-11-13/h5-6,8,10-12H,4,7,9H2,1-3H3,(H,17,20)(H,19,22)/p+1