4-azanyl-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]undec-1-ene-3-sulfonic acid

Systemtic Name: 4-azanyl-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]undec-1-ene-3-sulfonic acid Openeye Name: 4-amino-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]undec-1-ene-3-sulfonic acid CAS Name: 4-amino-2-[3-[(1-methyl-2-pyrrolidinyl)methyl]-1H-indol-5-yl]-1-undecene-3-sulfonic acid IUPAC Name: 4-amino-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]undec-1-ene-3-sulfonic acid Traditional Name: 4-amino-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]undec-1-ene-3-sulfonic acid Formula: C25H39N3O3S MolecularWeight: 461.66046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C(=C)C1=CC2=C(C=C1)NC=C2CC3CCCN3C)S(=O)(=O)O)N

Isomeric SMILES

CCCCCCCC(C(C(=C)C1=CC2=C(C=C1)NC=C2CC3CCCN3C)S(=O)(=O)O)N

InChI

InChI=1S/C25H39N3O3S/c1-4-5-6-7-8-11-23(26)25(32(29,30)31)18(2)19-12-13-24-22(16-19)20(17-27-24)15-21-10-9-14-28(21)3/h12-13,16-17,21,23,25,27H,2,4-11,14-15,26H2,1,3H3,(H,29,30,31)