4-azanylbenzoate; 1-ethyl-2,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium

Systemtic Name: 4-azanylbenzoate; 1-ethyl-2,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium Openeye Name: 4-aminobenzoate; 1-ethyl-2,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)vinyl]pyridin-1-ium CAS Name: 4-aminobenzoate; 1-ethyl-2,6-bis[(E)-2-[4-(1-pyrrolidinyl)phenyl]ethenyl]pyridin-1-ium IUPAC Name: 4-aminobenzoate; 1-ethyl-2,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyridin-1-ium Traditional Name: 4-aminobenzoate; 1-ethyl-2,6-bis[(E)-2-(4-pyrrolidinophenyl)vinyl]pyridin-1-ium Formula: C38H42N4O2 MolecularWeight: 586.76568

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC=C1C=CC2=CC=C(C=C2)N3CCCC3)C=CC4=CC=C(C=C4)N5CCCC5.C1=CC(=CC=C1C(=O)[O-])N

Isomeric SMILES

CC[N+]1=C(C=CC=C1/C=C/C2=CC=C(C=C2)N3CCCC3)/C=C/C4=CC=C(C=C4)N5CCCC5.C1=CC(=CC=C1C(=O)[O-])N

InChI

InChI=1S/C31H36N3.C7H7NO2/c1-2-34-30(20-14-26-10-16-28(17-11-26)32-22-3-4-23-32)8-7-9-31(34)21-15-27-12-18-29(19-13-27)33-24-5-6-25-33;8-6-3-1-5(2-4-6)7(9)10/h7-21H,2-6,22-25H2,1H3;1-4H,8H2,(H,9,10)/q+1;/p-1