(3S)-1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[1-(1,3-benzodioxol-5-yl)-4-piperidyl]-N-benzyl-N-methyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[1-(1,3-benzodioxol-5-yl)-4-piperidinyl]-N-methyl-N-(phenylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]-N-benzyl-N-methylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-[1-(1,3-benzodioxol-5-yl)-4-piperidyl]piperidin-1-ium-3-yl]-benzyl-methyl-amine Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCC[NH+](C2)C3CCN(CC3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCC[NH+](C2)C3CCN(CC3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H33N3O2/c1-26(17-20-6-3-2-4-7-20)23-8-5-13-28(18-23)21-11-14-27(15-12-21)22-9-10-24-25(16-22)30-19-29-24/h2-4,6-7,9-10,16,21,23H,5,8,11-15,17-19H2,1H3/p+1/t23-/m0/s1