(3S)-1-(phenylmethyl)-3-piperazin-4-ium-1-yl-pyrrolidin-1-ium-3-carbonitrile

Systemtic Name: (3S)-1-(phenylmethyl)-3-piperazin-4-ium-1-yl-pyrrolidin-1-ium-3-carbonitrile Openeye Name: (3S)-1-benzyl-3-piperazin-4-ium-1-yl-pyrrolidin-1-ium-3-carbonitrile CAS Name: (3S)-1-(phenylmethyl)-3-(1-piperazin-4-iumyl)-3-pyrrolidin-1-iumcarbonitrile IUPAC Name: (3S)-1-benzyl-3-piperazin-4-ium-1-ylpyrrolidin-1-ium-3-carbonitrile Traditional Name: (3S)-1-benzyl-3-piperazin-4-ium-1-yl-pyrrolidin-1-ium-3-carbonitrile Formula: C16H24N4+2 MolecularWeight: 272.38856

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1(C#N)N2CC[NH2+]CC2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@@]1(C#N)N2CC[NH2+]CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H22N4/c17-13-16(20-10-7-18-8-11-20)6-9-19(14-16)12-15-4-2-1-3-5-15/h1-5,18H,6-12,14H2/p+2/t16-/m1/s1