(3S)-3-naphthalen-1-yl-2-[(S)-naphthalen-1-yl(piperidin-1-ium-1-yl)methyl]-3-piperidin-1-ium-1-yl-propanenitrile

Systemtic Name: (3S)-3-naphthalen-1-yl-2-[(S)-naphthalen-1-yl(piperidin-1-ium-1-yl)methyl]-3-piperidin-1-ium-1-yl-propanenitrile Openeye Name: (3S)-3-(1-naphthyl)-2-[(S)-1-naphthyl(piperidin-1-ium-1-yl)methyl]-3-piperidin-1-ium-1-yl-propanenitrile CAS Name: (3S)-3-(1-naphthalenyl)-2-[(S)-1-naphthalenyl(1-piperidin-1-iumyl)methyl]-3-(1-piperidin-1-iumyl)propanenitrile IUPAC Name: (3S)-3-naphthalen-1-yl-2-[(S)-naphthalen-1-yl(piperidin-1-ium-1-yl)methyl]-3-piperidin-1-ium-1-ylpropanenitrile Traditional Name: (3S)-3-(1-naphthyl)-2-[(S)-1-naphthyl(piperidin-1-ium-1-yl)methyl]-3-piperidin-1-ium-1-yl-propionitrile Formula: C34H39N3+2 MolecularWeight: 489.69356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CC=CC3=CC=CC=C32)C(C#N)C(C4=CC=CC5=CC=CC=C54)[NH+]6CCCCC6

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C2=CC=CC3=CC=CC=C32)C(C#N)[C@@H](C4=CC=CC5=CC=CC=C54)[NH+]6CCCCC6

InChI

InChI=1S/C34H37N3/c35-25-32(33(36-21-7-1-8-22-36)30-19-11-15-26-13-3-5-17-28(26)30)34(37-23-9-2-10-24-37)31-20-12-16-27-14-4-6-18-29(27)31/h3-6,11-20,32-34H,1-2,7-10,21-24H2/p+2/t33-,34-/m1/s1