(1S)-6-methoxy-1-piperazin-4-ium-1-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile

Systemtic Name: (1S)-6-methoxy-1-piperazin-4-ium-1-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile Openeye Name: (1S)-6-methoxy-1-piperazin-4-ium-1-yl-tetralin-1-carbonitrile CAS Name: (1S)-6-methoxy-1-(1-piperazin-4-iumyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile IUPAC Name: (1S)-6-methoxy-1-piperazin-4-ium-1-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile Traditional Name: (1S)-6-methoxy-1-piperazin-4-ium-1-yl-tetralin-1-carbonitrile Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(CCC2)(C#N)N3CC[NH2+]CC3

Isomeric SMILES

COC1=CC2=C(C=C1)[C@@](CCC2)(C#N)N3CC[NH2+]CC3

InChI

InChI=1S/C16H21N3O/c1-20-14-4-5-15-13(11-14)3-2-6-16(15,12-17)19-9-7-18-8-10-19/h4-5,11,18H,2-3,6-10H2,1H3/p+1/t16-/m1/s1