(5S)-5-piperazin-4-ium-1-yl-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile

Systemtic Name: (5S)-5-piperazin-4-ium-1-yl-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile Openeye Name: (5S)-5-piperazin-4-ium-1-yl-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile CAS Name: (5S)-5-(1-piperazin-4-iumyl)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile IUPAC Name: (5S)-5-piperazin-4-ium-1-yl-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile Traditional Name: (5S)-5-piperazin-4-ium-1-yl-6,7,8,9-tetrahydrobenzocycloheptene-5-carbonitrile Formula: C16H22N3+ MolecularWeight: 256.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C2=CC=CC=C2C1)(C#N)N3CC[NH2+]CC3

Isomeric SMILES

C1CC[C@](C2=CC=CC=C2C1)(C#N)N3CC[NH2+]CC3

InChI

InChI=1S/C16H21N3/c17-13-16(19-11-9-18-10-12-19)8-4-3-6-14-5-1-2-7-15(14)16/h1-2,5,7,18H,3-4,6,8-12H2/p+1/t16-/m1/s1