(3S)-1-[(3-methoxyphenyl)methyl]-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[[2-(1-naphthalenyl)-5-pyrimidinyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-m-anisylpiperidin-1-ium-3-yl]-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]amine Formula: C28H31N4O+ MolecularWeight: 439.57194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NCC3=CN=C(N=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NCC3=CN=C(N=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H30N4O/c1-33-25-11-4-7-21(15-25)19-32-14-6-10-24(20-32)29-16-22-17-30-28(31-18-22)27-13-5-9-23-8-2-3-12-26(23)27/h2-5,7-9,11-13,15,17-18,24,29H,6,10,14,16,19-20H2,1H3/p+1/t24-/m0/s1