2-ethyl-N-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-phenanthren-9-yl-methyl]-6-propan-2-yl-aniline

Systemtic Name: 2-ethyl-N-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-phenanthren-9-yl-methyl]-6-propan-2-yl-aniline Openeye Name: 2-ethyl-6-isopropyl-N-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-(9-phenanthryl)methyl]aniline CAS Name: 2-ethyl-N-[(1-methanidyl-6-phenyl-2-pyridin-1-iumyl)-(9-phenanthrenyl)methyl]-6-propan-2-ylaniline IUPAC Name: 2-ethyl-N-[(1-methanidyl-6-phenylpyridin-1-ium-2-yl)-phenanthren-9-ylmethyl]-6-propan-2-ylaniline Traditional Name: (2-ethyl-6-isopropyl-phenyl)-[(1-methanidyl-6-phenyl-pyridin-1-ium-2-yl)-(9-phenanthryl)methyl]amine Formula: C38H36N2 MolecularWeight: 520.70584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)C)NC(C2=CC=CC(=[N+]2[CH2-])C3=CC=CC=C3)C4=CC5=CC=CC=C5C6=CC=CC=C64

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)C)NC(C2=CC=CC(=[N+]2[CH2-])C3=CC=CC=C3)C4=CC5=CC=CC=C5C6=CC=CC=C64

InChI

InChI=1S/C38H36N2/c1-5-27-18-13-22-30(26(2)3)37(27)39-38(36-24-14-23-35(40(36)4)28-15-7-6-8-16-28)34-25-29-17-9-10-19-31(29)32-20-11-12-21-33(32)34/h6-26,38-39H,4-5H2,1-3H3