7-methyl-3-[(phenylmethyl)amino]-1-piperidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 7-methyl-3-[(phenylmethyl)amino]-1-piperidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 3-(benzylamino)-7-methyl-1-(1-piperidyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 7-methyl-3-[(phenylmethyl)amino]-1-(1-piperidinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 3-(benzylamino)-7-methyl-1-piperidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 3-(benzylamino)-7-methyl-1-piperidino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C22H29N5+2 MolecularWeight: 363.49916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCCCC3)NCC4=CC=CC=C4)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCCCC3)NCC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H27N5/c1-26-13-10-18-19(14-23)21(24-15-17-8-4-2-5-9-17)25-22(20(18)16-26)27-11-6-3-7-12-27/h2,4-5,8-9H,3,6-7,10-13,15-16H2,1H3,(H,24,25)/p+2