1-(furan-2-ylcarbonyl)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(furan-2-ylcarbonyl)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: 1-(furan-2-carbonyl)-N-methyl-N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-furanyl(oxo)methyl]-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-(furan-2-carbonyl)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-(2-furoyl)-N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-N-methyl-isonipecotamide Formula: C26H35N4O4+ MolecularWeight: 467.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)C3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN(C)C(=O)C3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C26H34N4O4/c1-20-5-3-6-21(17-20)18-28-12-14-29(15-13-28)24(31)19-27(2)25(32)22-8-10-30(11-9-22)26(33)23-7-4-16-34-23/h3-7,16-17,22H,8-15,18-19H2,1-2H3/p+1