N-(cyclopenta-1,4-dien-1-ylmethyl)-4-[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]aniline

Systemtic Name: N-(cyclopenta-1,4-dien-1-ylmethyl)-4-[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]aniline Openeye Name: N-(cyclopenta-1,4-dien-1-ylmethyl)-4-[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]aniline CAS Name: N-(1-cyclopenta-1,4-dienylmethyl)-4-[4-(1-propyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]aniline IUPAC Name: N-(cyclopenta-1,4-dien-1-ylmethyl)-4-[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]aniline Traditional Name: cyclopenta-1,4-dien-1-ylmethyl-[4-[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]amine Formula: C25H27N3+2 MolecularWeight: 369.50198

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C=C3)NCC4=CCC=C4

Isomeric SMILES

CCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C=C3)NCC4=CCC=C4

InChI

InChI=1S/C25H26N3/c1-2-15-27-16-11-22(12-17-27)23-13-18-28(19-14-23)25-9-7-24(8-10-25)26-20-21-5-3-4-6-21/h3,5-14,16-19H,2,4,15,20H2,1H3/q+1/p+1