N-[[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[(3S)-1-[[1-(m-tolyl)imidazol-2-yl]methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[(3S)-1-[[1-(3-methylphenyl)-2-imidazolyl]methyl]-3-piperidin-1-iumyl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[(3S)-1-[[1-(m-tolyl)imidazol-2-yl]methyl]piperidin-1-ium-3-yl]methyl]-1-naphthamide Formula: C28H31N4O+ MolecularWeight: 439.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2C[NH+]3CCCC(C3)CNC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2C[NH+]3CCC[C@H](C3)CNC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H30N4O/c1-21-7-4-11-24(17-21)32-16-14-29-27(32)20-31-15-6-8-22(19-31)18-30-28(33)26-13-5-10-23-9-2-3-12-25(23)26/h2-5,7,9-14,16-17,22H,6,8,15,18-20H2,1H3,(H,30,33)/p+1/t22-/m0/s1