(2E,5Z)-3-methoxy-2-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]-5-pyrrol-1-ium-2-ylidene-pyrrole

Systemtic Name: (2E,5Z)-3-methoxy-2-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]-5-pyrrol-1-ium-2-ylidene-pyrrole Openeye Name: (2E,5Z)-3-methoxy-2-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylene]-5-pyrrol-1-ium-2-ylidene-pyrrole CAS Name: (2E,5Z)-3-methoxy-2-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]-5-(2-pyrrol-1-iumylidene)pyrrole IUPAC Name: (2E,5Z)-3-methoxy-2-[(5-methyl-4-pentyl-1H-pyrrol-2-yl)methylidene]-5-pyrrol-1-ium-2-ylidenepyrrole Traditional Name: (2E,5Z)-2-[(4-amyl-5-methyl-1H-pyrrol-2-yl)methylene]-3-methoxy-5-pyrrol-1-ium-2-ylidene-3-pyrroline Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=C1)C=C2C(=CC(=C3C=CC=[NH+]3)N2)OC)C

Isomeric SMILES

CCCCCC1=C(NC(=C1)/C=C/2\C(=C/C(=C/3\C=CC=[NH+]3)/N2)OC)C

InChI

InChI=1S/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17/h7,9-13,22-23H,4-6,8H2,1-3H3/p+1/b18-17-,19-12+