N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide Openeye Name: N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide CAS Name: N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinecarboxamide IUPAC Name: N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxamide Traditional Name: N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6-(4-methylpiperazin-4-ium-1-yl)nicotinamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCC3COC4=CC=CC=C4O3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)NCC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H26N4O3/c1-24-10-12-25(13-11-24)20-7-6-16(14-23-20)21(26)22-9-8-17-15-27-18-4-2-3-5-19(18)28-17/h2-7,14,17H,8-13,15H2,1H3,(H,22,26)/p+1/t17-/m0/s1