3-(2-azanylethyl)-N-propyl-N-pyridin-4-yl-indol-1-amine; naphthalene-2-sulfonic acid

Systemtic Name: 3-(2-azanylethyl)-N-propyl-N-pyridin-4-yl-indol-1-amine; naphthalene-2-sulfonic acid Openeye Name: 3-(2-aminoethyl)-N-propyl-N-(4-pyridyl)indol-1-amine; naphthalene-2-sulfonic acid CAS Name: 3-(2-aminoethyl)-N-propyl-N-pyridin-4-yl-1-indolamine; 2-naphthalenesulfonic acid IUPAC Name: 3-(2-aminoethyl)-N-propyl-N-pyridin-4-ylindol-1-amine; naphthalene-2-sulfonic acid Traditional Name: [3-(2-aminoethyl)indol-1-yl]-propyl-(4-pyridyl)amine; naphthalene-2-sulfonic acid Formula: C38H38N4O6S2 MolecularWeight: 710.86152

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=NC=C1)N2C=C(C3=CC=CC=C32)CCN.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CCCN(C1=CC=NC=C1)N2C=C(C3=CC=CC=C32)CCN.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C18H22N4.2C10H8O3S/c1-2-13-21(16-8-11-20-12-9-16)22-14-15(7-10-19)17-5-3-4-6-18(17)22;2*11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h3-6,8-9,11-12,14H,2,7,10,13,19H2,1H3;2*1-7H,(H,11,12,13)