7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 3-(isopentylamino)-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 7-methyl-3-(3-methylbutylamino)-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-methyl-3-(3-methylbutylamino)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 3-(isoamylamino)-7-methyl-1-pyrrolidino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C19H31N5+2 MolecularWeight: 329.48294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=[NH+]C(=C2C[NH+](CCC2=C1C#N)C)N3CCCC3

Isomeric SMILES

CC(C)CCNC1=[NH+]C(=C2C[NH+](CCC2=C1C#N)C)N3CCCC3

InChI

InChI=1S/C19H29N5/c1-14(2)6-8-21-18-16(12-20)15-7-11-23(3)13-17(15)19(22-18)24-9-4-5-10-24/h14H,4-11,13H2,1-3H3,(H,21,22)/p+2