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

Systemtic Name: (3S)-N-methyl-N-phenethyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-methyl-N-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-phenethyl-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-methyl-N-phenethylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-methyl-phenethyl-amine Formula: C26H39N3+2 MolecularWeight: 393.60796

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H37N3/c1-27(18-14-23-9-4-2-5-10-23)26-13-8-17-29(22-26)25-15-19-28(20-16-25)21-24-11-6-3-7-12-24/h2-7,9-12,25-26H,8,13-22H2,1H3/p+2/t26-/m0/s1